5,6-bis(oxidanyl)hexyl [(8R,9S,10R,14S)-13-ethyl-17-ethynyl-3-oxidanylidene-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] carbonate

Systemtic Name: 5,6-bis(oxidanyl)hexyl [(8R,9S,10R,14S)-13-ethyl-17-ethynyl-3-oxidanylidene-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] carbonate Openeye Name: 5,6-dihydroxyhexyl [(8R,9S,10R,14S)-13-ethyl-17-ethynyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] carbonate CAS Name: carbonic acid 5,6-dihydroxyhexyl [(8R,9S,10R,14S)-13-ethyl-17-ethynyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] ester IUPAC Name: 5,6-dihydroxyhexyl [(8R,9S,10R,14S)-13-ethyl-17-ethynyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] carbonate Traditional Name: carbonic acid 5,6-dihydroxyhexyl [(8R,9S,10R,14S)-13-ethyl-17-ethynyl-3-keto-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] ester Formula: C28H40O6 MolecularWeight: 472.6136

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CCC3C(C1CCC2(C#C)OC(=O)OCCCCC(CO)O)CCC4=CC(=O)CCC34

Isomeric SMILES

CCC12CC[C@H]3[C@H]([C@@H]1CCC2(C#C)OC(=O)OCCCCC(CO)O)CCC4=CC(=O)CC[C@H]34

InChI

InChI=1S/C28H40O6/c1-3-27-14-12-23-22-11-9-20(30)17-19(22)8-10-24(23)25(27)13-15-28(27,4-2)34-26(32)33-16-6-5-7-21(31)18-29/h2,17,21-25,29,31H,3,5-16,18H2,1H3/t21?,22-,23+,24+,25-,27?,28?/m0/s1